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We propose a new hybrid topology optimization algorithm based on multigrid approach that combines the parallelization strategy of CPU using OpenMP and heavily multithreading capabilities of modern Graphics Processing Units (GPU). In…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-02-01 Arya Prakash Padhi , Souvik Chakraborty , Anupam Chakrabarti , Rajib Chowdhury

In atomistic spin dynamics simulations, the time cost of constructing the space- and time-displaced pair correlation function in real space increases quadratically as the number of spins $N$, leading to significant computational effort. The…

Computational Physics · Physics 2023-08-16 Hongwei Chen , Shiyang Chen , Joshua J. Turner , Adrian Feiguin

Hardware accelerators, such as those based on GPUs and FPGAs, offer an excellent opportunity to efficiently parallelize functionalities. Recently, modern embedded platforms started being equipped with such accelerators, resulting in a…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-05-16 Daniel Casini , Paolo Pazzaglia , Alessandro Biondi , Marco Di Natale

Modern graphics processing units (GPUs) provide impressive computing resources, which can be accessed conveniently through the CUDA programming interface. We describe how GPUs can be used to considerably speed up molecular dynamics (MD)…

Computational Physics · Physics 2011-04-08 Peter H. Colberg , Felix Höfling

Simulations of systems with quenched disorder are extremely demanding, suffering from the combined effect of slow relaxation and the need of performing the disorder average. As a consequence, new algorithms, improved implementations, and…

Computational Physics · Physics 2020-05-20 Ravinder Kumar , Jonathan Gross , Wolfhard Janke , Martin Weigel

The increasing use of heterogeneous embedded systems with multi-core CPUs and Graphics Processing Units (GPUs) presents important challenges in effectively exploiting pipeline, task and data-level parallelism to meet throughput requirements…

Signal Processing · Electrical Eng. & Systems 2017-12-01 Shuoxin Lin , Jiahao Wu , Shuvra S. Bhattacharyya

Sparse Matrix-Matrix Multiplication (SpMM) is a fundamental operation in graph computing and analytics. However, the irregularity of real-world graphs poses significant challenges to achieving efficient SpMM operation for graph data on…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-12-13 Zhonggen Li , Xiangyu Ke , Yifan Zhu , Yunjun Gao , Yaofeng Tu

High fidelity Computational Fluid Dynamics simulations are generally associated with large computing requirements, which are progressively acute with each new generation of supercomputers. However, significant research efforts are required…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-07-07 R. Borrell , D. Dosimont , M. Garcia-Gasulla , G. Houzeaux , O. Lehmkuhl , V. Mehta , H. Owen , M. Vazquez , G. Oyarzun

In this paper, we describe the algorithms we implemented in FDPS to make efficient use of accelerator hardware such as GPGPUs. We have developed FDPS to make it possible for many researchers to develop their own high-performance parallel…

Instrumentation and Methods for Astrophysics · Physics 2020-02-12 Masaki Iwasawa , Daisuke Namekata , Keigo Nitadori , Kentaro Nomura , Long Wang , Miyuki Tsubouchi , Junichiro Makino

We test the performances of two different approaches to the computation of forces for molecular dynamics simulations on Graphics Processing Units. A "vertex-based" approach, where a computing thread is started per particle, is compared to a…

Computational Physics · Physics 2014-10-01 Lorenzo Rovigatti , Petr Šulc , István Z. Reguly , Flavio Romano

Witnessing the advancing scale and complexity of chip design and benefiting from high-performance computation technologies, the simulation of Very Large Scale Integration (VLSI) Circuits imposes an increasing requirement for acceleration…

Data Structures and Algorithms · Computer Science 2023-04-27 Weijie Fang , Yanggeng Fu , Jiaquan Gao , Longkun Guo , Gregory Gutin , Xiaoyan Zhang

GPUs have been widely used to accelerate computations exhibiting simple patterns of parallelism - such as flat or two-level parallelism - and a degree of parallelism that can be statically determined based on the size of the input dataset.…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-18 Hancheng Wu , Da Li , Michela Becchi

This paper addresses the problem of parallelizing computations to study non-linear dynamics in large networks of non-locally coupled oscillators using heterogeneous computing resources. The proposed approach can be applied to a variety of…

Chaotic Dynamics · Physics 2025-07-04 Oleksandr Sudakov , Volodymyr Maistrenko

Evolutionary algorithms (EAs) are increasingly implemented on graphics processing units (GPUs) to leverage parallel processing capabilities for enhanced efficiency. However, existing studies largely emphasize the raw speedup obtained by…

Neural and Evolutionary Computing · Computer Science 2026-01-28 Xinmeng Yu , Tao Jiang , Ran Cheng , Yaochu Jin , Kay Chen Tan

Principal component analysis (PCA) is a key statistical technique for multivariate data analysis. For large data sets the common approach to PCA computation is based on the standard NIPALS-PCA algorithm, which unfortunately suffers from…

Quantitative Methods · Quantitative Biology 2008-11-10 M. Andrecut

Multiple matching algorithms are used to locate the occurrences of patterns from a finite pattern set in a large input string. Aho-Corasick and Wu-Manber, two of the most well known algorithms for multiple matching require an increased…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-07-11 Charalampos S. Kouzinopoulos , John-Alexander M. Assael , Themistoklis K. Pyrgiotis , Konstantinos G. Margaritis

We implement a quantum optimal control algorithm based on automatic differentiation and harness the acceleration afforded by graphics processing units (GPUs). Automatic differentiation allows us to specify advanced optimization criteria and…

Quantum Physics · Physics 2017-04-19 Nelson Leung , Mohamed Abdelhafez , Jens Koch , David I. Schuster

Subgraph matching has garnered increasing attention for its diverse real-world applications. Given the dynamic nature of real-world graphs, addressing evolving scenarios without incurring prohibitive overheads has been a focus of research.…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-01-31 Linshan Qiu , Lu Chen , Hailiang Jie , Xiangyu Ke , Yunjun Gao , Yang Liu , Zetao Zhang

Modern accelerators like GPUs are increasingly executing independent operations concurrently to improve the device's compute utilization. However, effectively harnessing it on GPUs for important primitives such as general matrix…

Hardware Architecture · Computer Science 2024-09-05 Suchita Pati , Shaizeen Aga , Nuwan Jayasena , Matthew D. Sinclair

GROMACS is a de-facto standard for classical Molecular Dynamics (MD). The rise of AI-driven interatomic potentials that pursue near-quantum accuracy at MD throughput now poses a significant challenge: embedding neural-network inference into…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-09 Luca Pennati , Andong Hu , Ivy Peng , Lukas Müllender , Stefano Markidis